2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine

C12H13N7 — CID 155323723

IUPAC2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine
SMILESCc1nc(N)c2ncn(Cc3nccnc3C)c2n1
InChIInChI=1S/C12H13N7/c1-7-9(15-4-3-14-7)5-19-6-16-10-11(13)17-8(2)18-12(10)19/h3-4,6H,5H2,1-2H3,(H2,13,17,18)
InChIKeyFAHBDPSNAYVECD-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.86
Rot. Bonds2

About 2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine

2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine (PubChem CID 155323723) has the molecular formula C12H13N7 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine.

Molecular Properties

Compound Name2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine
PubChem CID155323723
Molecular FormulaC12H13N7
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine
SMILESCc1nc(N)c2ncn(Cc3nccnc3C)c2n1
InChIInChI=1S/C12H13N7/c1-7-9(15-4-3-14-7)5-19-6-16-10-11(13)17-8(2)18-12(10)19/h3-4,6H,5H2,1-2H3,(H2,13,17,18)
InChIKeyFAHBDPSNAYVECD-UHFFFAOYSA-N
XLogP0.86
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine?
The IUPAC name of 2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine (CID 155323723) is 2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine.
What is the SMILES notation for 2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine?
The canonical SMILES for 2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine is Cc1nc(N)c2ncn(Cc3nccnc3C)c2n1.
What is the InChIKey of 2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine?
The InChIKey is FAHBDPSNAYVECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-7-9(15-4-3-14-7)5-19-6-16-10-11(13)17-8(2)18-12(10)19/h3-4,6H,5H2,1-2H3,(H2,13,17,18).
What are the key properties of 2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine?
2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine has a molecular weight of 255.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine is sourced from PubChem (CID 155323723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).